ethyl 2-acetamido-3,3,3-trifluoropropanoate

C7H10F3NO3 — CID 4168997

IUPACethyl 2-acetamido-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(NC(C)=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-6(13)5(7(8,9)10)11-4(2)12/h5H,3H2,1-2H3,(H,11,12)
InChIKeyDRWRYVFTPHJBEO-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.62
Rot. Bonds3

About ethyl 2-acetamido-3,3,3-trifluoropropanoate

ethyl 2-acetamido-3,3,3-trifluoropropanoate (PubChem CID 4168997) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is ethyl 2-acetamido-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3,3,3-trifluoropropanoate
PubChem CID4168997
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-acetamido-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(NC(C)=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-6(13)5(7(8,9)10)11-4(2)12/h5H,3H2,1-2H3,(H,11,12)
InChIKeyDRWRYVFTPHJBEO-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3,3,3-trifluoropropanoate?
The IUPAC name of ethyl 2-acetamido-3,3,3-trifluoropropanoate (CID 4168997) is ethyl 2-acetamido-3,3,3-trifluoropropanoate.
What is the SMILES notation for ethyl 2-acetamido-3,3,3-trifluoropropanoate?
The canonical SMILES for ethyl 2-acetamido-3,3,3-trifluoropropanoate is CCOC(=O)C(NC(C)=O)C(F)(F)F.
What is the InChIKey of ethyl 2-acetamido-3,3,3-trifluoropropanoate?
The InChIKey is DRWRYVFTPHJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-3-14-6(13)5(7(8,9)10)11-4(2)12/h5H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-acetamido-3,3,3-trifluoropropanoate?
ethyl 2-acetamido-3,3,3-trifluoropropanoate has a molecular weight of 213.15 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3,3,3-trifluoropropanoate is sourced from PubChem (CID 4168997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).